5-amino-1-(cyclohexylmethyl)-3H-indol-2-one

C15H20N2O — CID 43382539

IUPAC5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2CC1CCCCC1
InChIInChI=1S/C15H20N2O/c16-13-6-7-14-12(8-13)9-15(18)17(14)10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,16H2
InChIKeyZSOIHWLLEAFJKJ-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.74
Rot. Bonds2

About 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one

5-amino-1-(cyclohexylmethyl)-3H-indol-2-one (PubChem CID 43382539) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one.

Molecular Properties

Compound Name5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
PubChem CID43382539
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-amino-1-(cyclohexylmethyl)-3H-indol-2-one
SMILESNc1ccc2c(c1)CC(=O)N2CC1CCCCC1
InChIInChI=1S/C15H20N2O/c16-13-6-7-14-12(8-13)9-15(18)17(14)10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,16H2
InChIKeyZSOIHWLLEAFJKJ-UHFFFAOYSA-N
XLogP2.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one?
The IUPAC name of 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one (CID 43382539) is 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one.
What is the SMILES notation for 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one?
The canonical SMILES for 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one is Nc1ccc2c(c1)CC(=O)N2CC1CCCCC1.
What is the InChIKey of 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one?
The InChIKey is ZSOIHWLLEAFJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-13-6-7-14-12(8-13)9-15(18)17(14)10-11-4-2-1-3-5-11/h6-8,11H,1-5,9-10,16H2.
What are the key properties of 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one?
5-amino-1-(cyclohexylmethyl)-3H-indol-2-one has a molecular weight of 244.34 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclohexylmethyl)-3H-indol-2-one is sourced from PubChem (CID 43382539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).